Frontiers in Drug Discovery

Brief Research Report

Published on 05 Jan 2023

Drug repurposing screening validated by experimental assays identifies two clinical drugs targeting SARS-CoV-2 main protease

in Anti-Infective Agents

Denis N. Prada Gori
Santiago Ruatta
Martín Fló
Lucas N. Alberca
Carolina L. Bellera
Soonju Park
Jinyeong Heo
Honggun Lee
Kyu-Ho Paul Park
Otto Pritsch

Frontiers in Drug Discovery

doi 10.3389/fddsv.2022.1082065

2,911 views
4 citations

Editorial

Published on 05 Jan 2023

Editorial: Insights in silico methods and artificial intelligence for drug discovery: 2022

in In silico Methods and Artificial Intelligence for Drug Discovery

José L. Medina-Franco

Frontiers in Drug Discovery

doi 10.3389/fddsv.2022.1126955

1,985 views
1 citation

Original Research

Published on 23 Dec 2022

Discovery of novel spike/ACE2 inhibitory macrocycles using in silico reinforcement learning

in In silico Methods and Artificial Intelligence for Drug Discovery

Lev Shapira
Shaul Lerner
Guila Assayag
Alexandra Vardi
Dikla Haham
Gideon Bar
Vicky Fidelsky Kozokaro
Maayan Elias Robicsek
Immanuel Lerner
Amit Michaeli

Frontiers in Drug Discovery

doi 10.3389/fddsv.2022.1085701

1,667 views
3 citations

Methods

Published on 19 Dec 2022

Enhanced utility of AI/ML methods during lead optimization by inclusion of 3D ligand information

in In silico Methods and Artificial Intelligence for Drug Discovery

Leo S. Bleicher
Ton van Daelen
J. Dana Honeycutt
Moises Hassan
Jayaraman Chandrasekhar
William Shirley
Vickie Tsui
Uli Schmitz

Frontiers in Drug Discovery

doi 10.3389/fddsv.2022.1074797

5,699 views
9 citations

Review

Published on 15 Dec 2022

Novel and emerging therapies in pulmonary arterial hypertension

in Cardiovascular and Hematologic Drugs

Steven J. Cassady
Danielle Soldin
Gautam V. Ramani

Frontiers in Drug Discovery

doi 10.3389/fddsv.2022.1022971

9,413 views
8 citations

Original Research

Published on 12 Dec 2022

In silico mapping of the dynamic interactions and structure-activity relationship of flavonoid compounds against the immune checkpoint programmed-cell death 1 pathway

in In silico Methods and Artificial Intelligence for Drug Discovery

Geraldo Rodrigues Sartori
Aline de Oliveira Albuquerque
Andrielly Henriques Santos-Costa
Luca Milério Andrade
Diego da Silva Almeida
Eduardo Menezes Gaieta
Jean Vieira Sampaio
Vitória Taiana de Melo Lima Albuquerque
João Hermínio Martins Da Silva

Frontiers in Drug Discovery

doi 10.3389/fddsv.2022.1032587

3,584 views
5 citations

Mini Review

Published on 08 Dec 2022

Zingiber officinale (Ginger) as a treatment for inflammatory bowel disease: A review of current literature

in Anti-inflammatory and Immunomodulating Agents

Fatemeh Sadeghi Poor Ranjbar
Fatemeh Mohammadyari
Atharzahra Omidvar
Farhad Nikzad
Nooria Doozandeh Nargesi
Majid Varmazyar
Soroush Dehghankar
Fatemeh Vosoughian
Sepehr Olangian-Tehrani
Sepehr Nanbakhsh

Frontiers in Drug Discovery

doi 10.3389/fddsv.2022.1043617

8,082 views
7 citations

Review

Published on 07 Dec 2022

The landscape of nature-derived antimalarials-potential of marine natural products in countering the evolving Plasmodium

in Anti-Infective Agents

Cherish Prashar
Narsinh Thakur
Soumyananda Chakraborti
Syed Shah Areeb Hussain
Kapil Vashisht
Kailash C. Pandey

Frontiers in Drug Discovery

doi 10.3389/fddsv.2022.1065231

3,016 views
4 citations

Review

Published on 06 Dec 2022

Coumarin-1,2,3-triazole hybrids as leading-edge anticancer agents

in Anti-Cancer Drugs

Krishna N. Mishra
Harish C. Upadhyay

Frontiers in Drug Discovery

doi 10.3389/fddsv.2022.1072448

4,714 views
16 citations

Original Research

Published on 29 Nov 2022

ASK120067 (limertinib) exerts pre-clinical anti-tumor activity by inhibiting EGFR exon20 insertion

in Anti-Cancer Drugs

Tao Zhang
Fang Feng
Linjiang Tong
Shingpan Chan
Yi Chen
Yan Li
Peiran Song
Yingqiang Liu
Gang Bai
Mengzhen Lai

Frontiers in Drug Discovery

doi 10.3389/fddsv.2022.1050687

2,147 views

Mini Review

Published on 03 Nov 2022

Oxidized phospholipids are biomarkers, drug targets, and drug leads

in Cardiovascular and Hematologic Drugs

Olga V. Oskolkova
Anna A. Birukova
Konstantin G. Birukov
Valery N. Bochkov

Frontiers in Drug Discovery

doi 10.3389/fddsv.2022.1043708

2,964 views
7 citations

Review

Published on 02 Nov 2022

Artificial intelligence for antiviral drug discovery in low resourced settings: A perspective

in In silico Methods and Artificial Intelligence for Drug Discovery

Cyril T. Namba-Nzanguim
Gemma Turon
Conrad V. Simoben
Ian Tietjen
Luis J. Montaner
Simon M. N. Efange
Miquel Duran-Frigola
Fidele Ntie-Kang

Frontiers in Drug Discovery

doi 10.3389/fddsv.2022.1013285

5,509 views
13 citations

Original Research

Published on 25 Oct 2022

Network pharmacology and molecular docking to explore Siraitia grosvenorii’s potential mechanism in preventing and treating proliferative diabetic retinopathy

in Anti-inflammatory and Immunomodulating Agents

Yehong Zhou
Fuxing Shu
Surendra Sarsaiya
Hu Jiang
Chengyan Jiang
Tingnian Qu
Ruixia Wang

Frontiers in Drug Discovery

doi 10.3389/fddsv.2022.1038224

1,961 views
1 citation

Systematic Review

Published on 25 Oct 2022

Characterization of KLH-driven immune responses in clinical studies: A systematic review

in Anti-inflammatory and Immunomodulating Agents

Mahdi Saghari
Manon A. A. Jansen
Hendrika W. Grievink
Robert Rissmann
Matthijs Moerland

Frontiers in Drug Discovery

doi 10.3389/fddsv.2022.992087

8,192 views
3 citations

Review

Published on 21 Oct 2022

Nine receptors and binding proteins, four drugs, and one woman: Historical and personal perspectives

in Anti-inflammatory and Immunomodulating Agents

Daniela Novick

Frontiers in Drug Discovery

doi 10.3389/fddsv.2022.1001487

2,465 views
5 citations

Original Research

Published on 21 Oct 2022

A machine learning-based virtual screening for natural compounds capable of inhibiting the HIV-1 integrase

in Anti-Infective Agents

Lucas A. Machado
Eduardo Krempser
Ana Carolina Ramos Guimarães

Frontiers in Drug Discovery

doi 10.3389/fddsv.2022.954911

4,728 views
7 citations